3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide

C10H11N5OS — CID 114386585

IUPAC3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide
SMILESCc1nnc(NC(=O)c2sccc2N)nc1C
InChIInChI=1S/C10H11N5OS/c1-5-6(2)14-15-10(12-5)13-9(16)8-7(11)3-4-17-8/h3-4H,11H2,1-2H3,(H,12,13,15,16)
InChIKeyXZESFVBICSEQEV-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.38
Rot. Bonds2

About 3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide

3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide (PubChem CID 114386585) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide
PubChem CID114386585
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide
SMILESCc1nnc(NC(=O)c2sccc2N)nc1C
InChIInChI=1S/C10H11N5OS/c1-5-6(2)14-15-10(12-5)13-9(16)8-7(11)3-4-17-8/h3-4H,11H2,1-2H3,(H,12,13,15,16)
InChIKeyXZESFVBICSEQEV-UHFFFAOYSA-N
XLogP1.38
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,6-dimethyl(1,2,4-triazin-3-yl))-2-thienylcarboxamide
CID 6414536
3-amino-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide
CID 61093141
2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-thiophen-2-ylacetamide
CID 113578258
4,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide
CID 113578325
5-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide
CID 113578336
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide
CID 114386560
4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide
CID 114386648
3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide
CID 114386666
3-amino-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide
CID 114386731
2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-thiophen-2-ylacetamide
CID 114387699
5-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide
CID 114388084
3-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide
CID 114388085

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide (CID 114386585) is 3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide is Cc1nnc(NC(=O)c2sccc2N)nc1C.
What is the InChIKey of 3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide?
The InChIKey is XZESFVBICSEQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-5-6(2)14-15-10(12-5)13-9(16)8-7(11)3-4-17-8/h3-4H,11H2,1-2H3,(H,12,13,15,16).
What are the key properties of 3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide?
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 114386585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).